N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide

C23H29N3O5 — CID 71694006

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 71694006) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 71694006
• Molecular Formula: C23H29N3O5
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.21
• IUPAC Name: N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)cc1
• InChI: InChI=1S/C23H29N3O5/c1-30-17-5-2-15(3-6-17)12-21(28)25-22-18(13-19(27)23(22)29)16-4-7-20(24-14-16)26-8-10-31-11-9-26/h2-7,14,18-19,22-23,27,29H,8-13H2,1H3,(H,25,28)/t18-,19-,22-,23-/m1/s1
• InChIKey: YZDLKHYSIFHQQM-DAVBRLECSA-N
• XLogP: 0.86
• TPSA: 104.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide (CID 71694006) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)cc1.

What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is YZDLKHYSIFHQQM-DAVBRLECSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-30-17-5-2-15(3-6-17)12-21(28)25-22-18(13-19(27)23(22)29)16-4-7-20(24-14-16)26-8-10-31-11-9-26/h2-7,14,18-19,22-23,27,29H,8-13H2,1H3,(H,25,28)/t18-,19-,22-,23-/m1/s1.

What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide?

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 71694006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).